2025/12/27 by Bomont Jean-Marc, Bretonnet Jean-Louis, Jean-Marc, Bomont +5
Chemistry · Engineering · Materials Science · #Advanced Physical and Chemical Molecular Interactions #FOS: Physical sciences #Material Dynamics and Properties #Phase Equilibria and Thermodynamics #Soft Condensed Matter (cond-mat.soft) #Statistical Mechanics (cond-mat.stat-mech)
paper · doi:10.48550/arxiv.2512.22548
openalex publication_date 2025/12/27 · openalex created_date 2025/12/31 · openalex updated_date 2026/07/28
Framing the glass formation within standard statistical mechanics is an outstanding problem of condensed matter theory. To provide new insight, we investigate the structural properties of the Lennard-Jones fluid in the very-low temperature regime, by using a replicated version of the refined HMSA theory of the liquid state, combined with an appropriate split of the pair potential [Bomont and Bretonnet, J. Chem. Phys. 114, 4141 (2001)]. Our scheme allows one to reach an unprecedented low-temperature domain within both the supercooled liquid and the ideal-glass phase. Therein, a density-dependent temperature is identified, whereupon the radial distribution function experiences clear-cut structural changes, insofar as an additional peak develops in between the main and the second peaks. Such a structural feature points to a local structure of the Lennard-Jones ideal glass with an fcc-like short-range order, in the absence of any long-range order.